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Also known as: Glyceryl 2-propionate distearate, Unii-620w161r03, 136552-27-7, 620w161r03, Octadecanoic acid, 2-(1-oxopropoxy)-1,3-propanediyl ester, Dtxsid50159835

Molecular Formula

C₄₂H₈₀O₆

Molecular Weight

681.1 g/mol

InChI Key

OGIHMAJVGSXTGA-UHFFFAOYSA-N

FDA UNII

620W161R03

1 2D Structure

Glyceryl distearate 2-propionate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3-octadecanoyloxy-2-propanoyloxypropyl) octadecanoate

2.1.2 InChI

InChI=1S/C42H80O6/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-37-39(48-40(43)6-3)38-47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h39H,4-38H2,1-3H3

2.1.3 InChI Key

OGIHMAJVGSXTGA-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

620W161R03

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Glyceryl 2-propionate Distearate

2. Unii-620w161r03

3. 136552-27-7

4. 620w161r03

5. Octadecanoic Acid, 2-(1-oxopropoxy)-1,3-propanediyl Ester

6. Dtxsid50159835

7. 2-propiono-1,3-distearin

8. Refchem:143807

9. Dtxcid9082326

10. Schembl9716938

11. Q27263408

2.4 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₄₂H₈₀O₆
Molecular Weight	681.1 g/mol
XLogP3	17.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	41
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	78.9
Heavy Atom Count	48
Formal Charge	0
Complexity	658
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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